SCHEMBL28913508

SCHEMBL28913508

CCC(C)(CCOc1ccc2c(c1)OCO2)C(=O)Oc1ccc2c(c1)OCO2

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ TSHR P16473 3/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MAOA P21397 2/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ MAPT P10636 3/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ ALOX15 P16050 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ FKBP1A P62942 1/20 0.44
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HPGD P15428 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28567506 0.94 MAOB (0.47) MAOBSMN1; SMN2TSHRLMNAMAOA
SCHEMBL28557968 0.93 MAOB (0.46) MAOBSMN1; SMN2TSHRLMNAMAOA
SCHEMBL28555718 0.82 MAOB (0.47) MAOBSMN1; SMN2TSHRLMNAMAOA
SCHEMBL10064132 0.81 KMT2A (0.51) SMN1; SMN2TSHRLMNARAB9AKMT2A
SCHEMBL28564398 0.74 TSHR (0.61) MAOBSMN1; SMN2TSHRLMNAMAOA
SCHEMBL28564927 0.74 LMNA (0.51) SMN1; SMN2TSHRLMNARAB9AKMT2A
SCHEMBL1878847 0.74 TSHR (0.57) MAOBSMN1; SMN2TSHRMAOARAB9A
SCHEMBL984528 0.73 MAOB (0.68) MAOBSMN1; SMN2TSHRMAOARAB9A
SCHEMBL984460 0.73 MAOB (0.68) MAOBSMN1; SMN2TSHRMAOARAB9A
SCHEMBL1855445 0.73 LMNA (0.62) SMN1; SMN2TSHRLMNARAB9AKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110407801-B 3, 4-methylenedioxy phenoxy fibrate- (3, 4-methylenedioxy) phenyl ester compound and application thereof in reducing blood fat 陕西中医药大学 2020-12-22 — — CN disclosed
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